(4R)-3-[(2R,3S)-2-(cyclopentylmethyl)-3-hydroxyhexanoyl]-4-methyl-1,3-oxazolidin-2-one

C16H27NO4 — CID 59095691

IUPAC(4R)-3-[(2R,3S)-2-(cyclopentylmethyl)-3-hydroxyhexanoyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCCC[C@H](O)[C@@H](CC1CCCC1)C(=O)N1C(=O)OC[C@H]1C
InChIInChI=1S/C16H27NO4/c1-3-6-14(18)13(9-12-7-4-5-8-12)15(19)17-11(2)10-21-16(17)20/h11-14,18H,3-10H2,1-2H3/t11-,13-,14+/m1/s1
InChIKeyCPRWZVFUTXJPGN-BNOWGMLFSA-N
MW297.39 g/mol
LogP2.71
Rot. Bonds6

About (4R)-3-[(2R,3S)-2-(cyclopentylmethyl)-3-hydroxyhexanoyl]-4-methyl-1,3-oxazolidin-2-one

(4R)-3-[(2R,3S)-2-(cyclopentylmethyl)-3-hydroxyhexanoyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 59095691) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is (4R)-3-[(2R,3S)-2-(cyclopentylmethyl)-3-hydroxyhexanoyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R,3S)-2-(cyclopentylmethyl)-3-hydroxyhexanoyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID59095691
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name(4R)-3-[(2R,3S)-2-(cyclopentylmethyl)-3-hydroxyhexanoyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCCC[C@H](O)[C@@H](CC1CCCC1)C(=O)N1C(=O)OC[C@H]1C
InChIInChI=1S/C16H27NO4/c1-3-6-14(18)13(9-12-7-4-5-8-12)15(19)17-11(2)10-21-16(17)20/h11-14,18H,3-10H2,1-2H3/t11-,13-,14+/m1/s1
InChIKeyCPRWZVFUTXJPGN-BNOWGMLFSA-N
XLogP2.71
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R,3S)-2-(cyclopentylmethyl)-3-hydroxyhexanoyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R,3S)-2-(cyclopentylmethyl)-3-hydroxyhexanoyl]-4-methyl-1,3-oxazolidin-2-one (CID 59095691) is (4R)-3-[(2R,3S)-2-(cyclopentylmethyl)-3-hydroxyhexanoyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R,3S)-2-(cyclopentylmethyl)-3-hydroxyhexanoyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R,3S)-2-(cyclopentylmethyl)-3-hydroxyhexanoyl]-4-methyl-1,3-oxazolidin-2-one is CCC[C@H](O)[C@@H](CC1CCCC1)C(=O)N1C(=O)OC[C@H]1C.
What is the InChIKey of (4R)-3-[(2R,3S)-2-(cyclopentylmethyl)-3-hydroxyhexanoyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is CPRWZVFUTXJPGN-BNOWGMLFSA-N. The full InChI is InChI=1S/C16H27NO4/c1-3-6-14(18)13(9-12-7-4-5-8-12)15(19)17-11(2)10-21-16(17)20/h11-14,18H,3-10H2,1-2H3/t11-,13-,14+/m1/s1.
What are the key properties of (4R)-3-[(2R,3S)-2-(cyclopentylmethyl)-3-hydroxyhexanoyl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-3-[(2R,3S)-2-(cyclopentylmethyl)-3-hydroxyhexanoyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 297.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R,3S)-2-(cyclopentylmethyl)-3-hydroxyhexanoyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59095691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).